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CAS 1262886-63-4 (R)-N-FMoc-2-(7′-octeny)glycine molecular structure lightbox
CAS RN: 1262886-63-4

(R)-N-FMoc-2-(7′-octeny)glycine

  • Product code: SSC-033259
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1262886-63-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

1262886-63-4 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)non-8-enoic acid

Standard CAS: 1262886-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262886-63-4
Multi CAS
No
Molecular Formula
C24H27NO4
Molecular Weight
393.500000
Exact Mass
393.194008
SMILES
C=CCCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H27NO4/c1-2-3-4-5-6-15-22(23(26)27)25-24(28)29-16-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h2,7-14,21-22H,1,3-6,15-16H2,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKey
QIEFPAUZXDGSBE-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
112.91
TPSA
75.63

LogP / Solubility

WLOGP
5.11
MLOGP
4.52
XLogP3
5.6
Consensus LogP
5.08
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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